N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide

C15H19NO3 — CID 107723246

IUPACN-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide
SMILESO=C(NCC(C1CC1)C1CC1)c1cc(O)ccc1O
InChIInChI=1S/C15H19NO3/c17-11-5-6-14(18)12(7-11)15(19)16-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13,17-18H,1-4,8H2,(H,16,19)
InChIKeyONEBWOYQLKZJOF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.26
Rot. Bonds5

About N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide

N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide (PubChem CID 107723246) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide
PubChem CID107723246
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide
SMILESO=C(NCC(C1CC1)C1CC1)c1cc(O)ccc1O
InChIInChI=1S/C15H19NO3/c17-11-5-6-14(18)12(7-11)15(19)16-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13,17-18H,1-4,8H2,(H,16,19)
InChIKeyONEBWOYQLKZJOF-UHFFFAOYSA-N
XLogP2.26
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide
CID 103714393
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide
CID 103865605
3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107721718
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
N-(2-amino-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 55242936
N-(2-bromo-2-cyclopropylethyl)-2-hydroxy-5-methylbenzamide
CID 114315762
5-chloro-N-(2-cyclopropylpropyl)-2-hydroxybenzamide
CID 115591206
2,5-dihydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 107724816
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
CID 107725987
N-(2,2-dicyclopropylethyl)-3-hydroxy-4-nitrobenzamide
CID 103711997

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide (CID 107723246) is N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide is O=C(NCC(C1CC1)C1CC1)c1cc(O)ccc1O.
What is the InChIKey of N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide?
The InChIKey is ONEBWOYQLKZJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-11-5-6-14(18)12(7-11)15(19)16-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13,17-18H,1-4,8H2,(H,16,19).
What are the key properties of N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide?
N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide has a molecular weight of 261.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107723246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).